Quinaldic Acid → HCID 178449302, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[CH:8]1[N:9]([CH2:14][CH:15]([CH:16]([CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[NH:24][C:25]([CH:26]([NH2:27])[CH2:28][SH:29])=[O:30])[OH:31])[CH2:10][CH2:11][CH2:12][CH2:13]1.[CH2:55]([N:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1)[CH3:62].[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[CH:63]1([N:64]=[C:65]=[N:66][CH:67]2[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72]2)[CH2:73][CH2:74][CH2:75][CH2:76][CH2:77]1.[OH:32][C:33](=[O:34])[c:35]1[cH:36][cH:37][c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44]1.[OH:45][c:46]1[c:47]2[n:48][n:49][nH:50][c:51]2[cH:52][cH:53][cH:54]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[CH:8]1[N:9]([CH2:14][CH:15]([CH:16]([CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[NH:24][C:25]([CH:26]([NH:27][C:33](=[O:32])[c:35]2[cH:36][cH:37][c:38]3[cH:39][cH:40][cH:41][cH:42][c:43]3[n:44]2)[CH2:28][SH:29])=[O:30])[OH:31])[CH2:10][CH2:11][CH2:12][CH2:13]1Participants
7
Sources & evidence
- ORD record
- ord-ffdcbcc150514d22911c1156b3c73173
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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